mirror of https://gitlab.com/QEF/q-e.git
101 lines
4.3 KiB
Plaintext
101 lines
4.3 KiB
Plaintext
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=-------------------------------------------------------------------=
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Hubbard U parameters:
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site n. type label spin new_type new_label Hubbard U (eV)
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1 1 Co 1 1 Co 7.8305
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=-------------------------------------------------------------------=
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chi0 matrix :
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-0.493424 0.000778 0.000778 0.076698 0.000778 0.076698 0.076698 -0.000006
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0.000778 -0.493424 0.076698 0.000778 0.076698 0.000778 -0.000006 0.076698
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0.000778 0.076698 -0.493424 0.000778 0.076698 -0.000006 0.000778 0.076698
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0.076698 0.000778 0.000778 -0.493424 -0.000006 0.076698 0.076698 0.000778
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0.000778 0.076698 0.076698 -0.000006 -0.493424 0.000778 0.000778 0.076698
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0.076698 0.000778 -0.000006 0.076698 0.000778 -0.493424 0.076698 0.000778
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0.076698 -0.000006 0.000778 0.076698 0.000778 0.076698 -0.493424 0.000778
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-0.000006 0.076698 0.076698 0.000778 0.076698 0.000778 0.000778 -0.493424
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chi matrix :
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-0.099713 0.000053 0.000053 0.004466 0.000053 0.004466 0.004466 0.000005
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0.000053 -0.099713 0.004466 0.000053 0.004466 0.000053 0.000005 0.004466
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0.000053 0.004466 -0.099713 0.000053 0.004466 0.000005 0.000053 0.004466
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0.004466 0.000053 0.000053 -0.099713 0.000005 0.004466 0.004466 0.000053
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0.000053 0.004466 0.004466 0.000005 -0.099713 0.000053 0.000053 0.004466
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0.004466 0.000053 0.000005 0.004466 0.000053 -0.099713 0.004466 0.000053
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0.004466 0.000005 0.000053 0.004466 0.000053 0.004466 -0.099713 0.000053
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0.000005 0.004466 0.004466 0.000053 0.004466 0.000053 0.000053 -0.099713
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chi0^{-1} matrix :
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-2.264966 -0.008999 -0.008999 -0.510952 -0.008999 -0.510952 -0.510952 -0.006588
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-0.008999 -2.264966 -0.510952 -0.008999 -0.510952 -0.008999 -0.006588 -0.510952
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-0.008999 -0.510952 -2.264966 -0.008999 -0.510952 -0.006588 -0.008999 -0.510952
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-0.510952 -0.008999 -0.008999 -2.264966 -0.006588 -0.510952 -0.510952 -0.008999
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-0.008999 -0.510952 -0.510952 -0.006588 -2.264966 -0.008999 -0.008999 -0.510952
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-0.510952 -0.008999 -0.006588 -0.510952 -0.008999 -2.264966 -0.510952 -0.008999
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-0.510952 -0.006588 -0.008999 -0.510952 -0.008999 -0.510952 -2.264966 -0.008999
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-0.006588 -0.510952 -0.510952 -0.008999 -0.510952 -0.008999 -0.008999 -2.264966
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chi^{-1} matrix :
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-10.095485 -0.006599 -0.006599 -0.496606 -0.006599 -0.496606 -0.496606 -0.002159
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-0.006599 -10.095485 -0.496606 -0.006599 -0.496606 -0.006599 -0.002159 -0.496606
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-0.006599 -0.496606 -10.095485 -0.006599 -0.496606 -0.002159 -0.006599 -0.496606
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-0.496606 -0.006599 -0.006599 -10.095485 -0.002159 -0.496606 -0.496606 -0.006599
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-0.006599 -0.496606 -0.496606 -0.002159 -10.095485 -0.006599 -0.006599 -0.496606
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-0.496606 -0.006599 -0.002159 -0.496606 -0.006599 -10.095485 -0.496606 -0.006599
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-0.496606 -0.002159 -0.006599 -0.496606 -0.006599 -0.496606 -10.095485 -0.006599
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-0.002159 -0.496606 -0.496606 -0.006599 -0.496606 -0.006599 -0.006599 -10.095485
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Hubbard matrix :
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7.830519 -0.002400 -0.002400 -0.014346 -0.002400 -0.014346 -0.014346 -0.004429
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-0.002400 7.830519 -0.014346 -0.002400 -0.014346 -0.002400 -0.004429 -0.014346
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-0.002400 -0.014346 7.830519 -0.002400 -0.014346 -0.004429 -0.002400 -0.014346
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-0.014346 -0.002400 -0.002400 7.830519 -0.004429 -0.014346 -0.014346 -0.002400
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-0.002400 -0.014346 -0.014346 -0.004429 7.830519 -0.002400 -0.002400 -0.014346
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-0.014346 -0.002400 -0.004429 -0.014346 -0.002400 7.830519 -0.014346 -0.002400
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-0.014346 -0.004429 -0.002400 -0.014346 -0.002400 -0.014346 7.830519 -0.002400
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-0.004429 -0.014346 -0.014346 -0.002400 -0.014346 -0.002400 -0.002400 7.830519
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